[(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] (2R)-2-phenylbutanoate Openeye Name: [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [(1S)-2-(7-ethyl-1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)OC(=O)C(CC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)[C@H](C3=CC=CC=C3)OC(=O)[C@H](CC)C4=CC=CC=C4

InChI

InChI=1S/C28H27NO3/c1-3-19-16-11-17-23-24(18-29-25(19)23)26(30)27(21-14-9-6-10-15-21)32-28(31)22(4-2)20-12-7-5-8-13-20/h5-18,22,27,29H,3-4H2,1-2H3/t22-,27+/m1/s1